Huiyong Sun

Publication Activity (10 Years)

Years Active: 2013-2024
Publications (10 Years): 26

Top Topics

Virtual Screening

Molecular Dynamics

Predicting Protein

Top Venues

J. Chem. Inf. Model.

Briefings Bioinform.

J. Cheminformatics

Publications

Nanqi Hong, Dejun Jiang, Zhe Wang, Huiyong Sun, Hao Luo, Lingjie Bao, Mingli Song, Yu Kang, Tingjun Hou
TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides. J. Chem. Inf. Model. 64 (13) (2024)
Lingling Wang, Lei Xu, Zhe Wang, Tingjun Hou, Haiping Hao, Huiyong Sun
Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis. Briefings Bioinform. 24 (1) (2023)
Jike Wang, Yundian Zeng, Huiyong Sun, Junmei Wang, Xiaorui Wang, Ruofan Jin, Mingyang Wang, Xujun Zhang, Dong-Sheng Cao, Xi Chen, Chang-Yu Hsieh, Tingjun Hou
Molecular Generation with Reduced Labeling through Constraint Architecture. J. Chem. Inf. Model. 63 (11) (2023)
Sutong Xiang, Zhe Wang, Rongfan Tang, Lingling Wang, Qinghua Wang, Yang Yu, Qirui Deng, Tingjun Hou, Haiping Hao, Huiyong Sun
Combined Enhanced Sampling. J. Chem. Inf. Model. 63 (23) (2023)
Zhe Wang, Hong Pan, Huiyong Sun, Yu Kang, Huanxiang Liu, Dongsheng Cao, Tingjun Hou
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation. Briefings Bioinform. 23 (5) (2022)
Rongfan Tang, Pengcheng Chen, Zhe Wang, Lingling Wang, Haiping Hao, Tingjun Hou, Huiyong Sun
Characterizing the stabilization effects of stabilizers in protein-protein systems with end-point binding free energy calculations. Briefings Bioinform. 23 (3) (2022)
Dejun Jiang, Huiyong Sun, Jike Wang, Chang-Yu Hsieh, Yuquan Li, Zhenxing Wu, Dong-Sheng Cao, Jian Wu, Tingjun Hou
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. Briefings Bioinform. 23 (2) (2022)
Lei Jia, Lingling Wang, Yingmin Jiang, Lei Xu, Yanfei Cai, Yun Chen, Jian Jin, Huiyong Sun, Jingyu Zhu
energetic, pharmacophore and dissociation pathway analyses. Comput. Biol. Medicine 147 (2022)
Yang Yu, Zhe Wang, Lingling Wang, Sheng Tian, Tingjun Hou, Huiyong Sun
Predicting the mutation effects of protein-ligand interactions via end-point binding free energy calculations: strategies and analyses. J. Cheminformatics 14 (1) (2022)
Qinghua Wang, Zhe Wang, Sheng Tian, Lingling Wang, Rongfan Tang, Yang Yu, Jingxuan Ge, Tingjun Hou, Haiping Hao, Huiyong Sun
Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning. J. Chem. Inf. Model. 62 (17) (2022)
Mingyang Wang, Huiyong Sun, Jike Wang, Jinping Pang, Xin Chai, Lei Xu, Honglin Li, Dongsheng Cao, Tingjun Hou
Comprehensive assessment of deep generative architectures for de novo drug design. Briefings Bioinform. 23 (1) (2022)
Huiyong Sun, Yuxiang Jia, Xiaojing Du, Shuai Cao, Hongying Zan
Building a Corpus for Chinese Causality Extraction in Futures Domain. CLSW (2) (2022)
Ercheng Wang, Weitao Fu, Dejun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Tingjun Hou
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations. J. Chem. Inf. Model. 61 (6) (2021)
Jike Wang, Dong-Sheng Cao, Cunchen Tang, Lei Xu, Qiaojun He, Bo Yang, Xi Chen, Huiyong Sun, Tingjun Hou
DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. Briefings Bioinform. 22 (3) (2021)
Jike Wang, Huiyong Sun, Jiawen Chen, Dejun Jiang, Zhe Wang, Zhenxing Wu, Xi Chen, Dong-Sheng Cao, Tingjun Hou
machine-learning algorithms. Bioinform. 37 (22) (2021)
Yuxiang Jia, Le Kang, Huiyong Sun, Xiaojing Du, Shuai Cao, Hongying Zan, Fang Li
Causality Extraction in Futures Domain. IALP (2021)
Jike Wang, Dong-Sheng Cao, Cunchen Tang, Xi Chen, Huiyong Sun, Tingjun Hou
Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning. Bioinform. 36 (18) (2020)
Ercheng Wang, Hui Liu, Junmei Wang, Gaoqi Weng, Huiyong Sun, Zhe Wang, Yu Kang, Tingjun Hou
Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities. J. Chem. Inf. Model. 60 (11) (2020)
Ye Jin, Mojie Duan, Xuwen Wang, Xiaotian Kong, Wenfang Zhou, Huiyong Sun, Hui Liu, Dan Li, Huidong Yu, Youyong Li, Tingjun Hou
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations. J. Chem. Inf. Model. 59 (2) (2019)
Wenfang Zhou, Mojie Duan, Weitao Fu, Jinping Pang, Qin Tang, Huiyong Sun, Lei Xu, Shan Chang, Dan Li, Tingjun Hou
Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays. Genom. Proteom. Bioinform. 16 (6) (2018)
Jun Shang, Ben Hu, Junmei Wang, Feng Zhu, Yu Kang, Dan Li, Huiyong Sun, De-Xin Kong, Tingjun Hou
Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products. J. Chem. Inf. Model. 58 (6) (2018)
Na Liu, Wenfang Zhou, Yue Guo, Junmei Wang, Weitao Fu, Huiyong Sun, Dan Li, Mojie Duan, Tingjun Hou
Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator. J. Chem. Inf. Model. 58 (8) (2018)
Huiyong Sun, Youyong Li, Mingyun Shen, Dan Li, Yu Kang, Tingjun Hou
Characterizing Drug-Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches. J. Chem. Inf. Model. 57 (8) (2017)
Ting Feng, Fu Chen, Yu Kang, Huiyong Sun, Hui Liu, Dan Li, Feng Zhu, Tingjun Hou
HawkRank: a new scoring function for protein-protein docking based on weighted energy terms. J. Cheminformatics 9 (1) (2017)
Jun Shang, Huiyong Sun, Hui Liu, Fu Chen, Sheng Tian, Peichen Pan, Dan Li, De-Xin Kong, Tingjun Hou
Comparative analyses of structural features and scaffold diversity for purchasable compound libraries. J. Cheminformatics 9 (1) (2017)
Tailong Lei, Youyong Li, Yunlong Song, Dan Li, Huiyong Sun, Tingjun Hou
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling. J. Cheminformatics 8 (1) (2016)
Peichen Pan, Sheng Tian, Huiyong Sun, Xiaotian Kong, Wenfang Zhou, Dan Li, Youyong Li, Tingjun Hou
Identification and Preliminary SAR Analysis of Novel Type-I Inhibitors of TIE-2 via Structure-Based Virtual Screening and Biological Evaluation in in vitro Models. J. Chem. Inf. Model. 55 (12) (2015)
Sheng Tian, Huiyong Sun, Peichen Pan, Dan Li, Xuechu Zhen, Youyong Li, Tingjun Hou
Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility. J. Chem. Inf. Model. 54 (10) (2014)
Huiyong Sun, Youyong Li, Sheng Tian, Junmei Wang, Tingjun Hou
P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape. PLoS Comput. Biol. 10 (7) (2014)
Huiyong Sun, Youyong Li, Dan Li, Tingjun Hou
Insight into Crizotinib Resistance Mechanisms Caused by Three Mutations in ALK Tyrosine Kinase using Free Energy Calculation Approaches. J. Chem. Inf. Model. 53 (9) (2013)
Peichen Pan, Youyong Li, Huidong Yu, Huiyong Sun, Tingjun Hou
Molecular Principle of Topotecan Resistance by Topoisomerase I Mutations through Molecular Modeling Approaches. J. Chem. Inf. Model. 53 (4) (2013)
Sheng Tian, Huiyong Sun, Youyong Li, Peichen Pan, Dan Li, Tingjun Hou
Development and Evaluation of an Integrated Virtual Screening Strategy by Combining Molecular Docking and Pharmacophore Searching Based on Multiple Protein Structures. J. Chem. Inf. Model. 53 (10) (2013)